SCHEMBL9365136

SCHEMBL9365136

CCC1(c2cc(F)cc(OCC#Cc3cccc(OCC#N)c3)c2)COC(C)(C)O1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.39
FFAR1 O14842 1/20 0.37
GRM5 P41594 2/20 0.32
EGLN1 Q9GZT9 2/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9582882 0.84 ALOX5 (0.52) ALOX5GRM5EGLN1
SCHEMBL9582290 0.80 ALOX5 (0.33) ALOX5
SCHEMBL9365005 0.77 MAOB (0.30) ALOX5
SCHEMBL9370985 0.76 ALOX5 (0.41) ALOX5GRM5
SCHEMBL9356426 0.74 ALOX5 (0.41) ALOX5FFAR1GRM5EGLN1
SCHEMBL9365968 0.74 ALOX5 (0.44) ALOX5FFAR1
SCHEMBL9022255 0.74 ALOX5 (0.58) ALOX5GRM5
SCHEMBL9582257 0.72 MAOA (0.36) ALOX5
SCHEMBL9582268 0.72 MAOA (0.36) ALOX5
SCHEMBL9365123 0.71 ALOX5 (0.51) ALOX5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0375457-B1 Cyclic ether derivatives ICI PLC (GB) 1994-03-16 EP disclosed
US-5219881-A Enzyme inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-15 US disclosed
US-5098932-A Inhibitors of lipoxygenase for treatment of diseases mediated with leukotrienes IMPERIAL CHEMICAL INDUSTRIES PLC, ICI PHARMA (FR) 1992-03-24 US disclosed